Stephen J. Klippenstein

TL;DR: In this article, the authors present an overview of the current status of transition-state theory and its generalizations, including recent improvements in available methodology for calculations on complex systems, including the interface with electronic structure theory, progress in the theory and application of transitionstate theory to condensed-phase reactions, and insight into the relation of transition state theory to accurate quantum dynamics.

TL;DR: In this paper, a review of the current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed, along with the chemistry of NO removal processes such as reburning and selective non-catalytic reduction of NO.

TL;DR: In this paper, an updated H2/O2 kinetic model based on that of Li et al. (Int J Chem Kinet 36, 2004, 566-575) is presented and tested against a wide range of combustion targets.

TL;DR: This review is concerned with the theoretical and computational modeling of bimolecular reactions, especially with generally applicable methods for kinetics (i.e., overall rates as opposed to detailed dynamics), and includes a basic theoretical framework that can be used for gas-phase thermal reactions, gas- phase microcanonical and state-selected reactions, and condensed-phase chemical reactions.

TL;DR: The KInetic Database for Astrochemistry (KIDA) as mentioned in this paper is a database of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible.